2-(2-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide

C26H27ClN2O3S — CID 3202731

IUPAC2-(2-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2Cl)cc1
InChIInChI=1S/C26H27ClN2O3S/c1-32-20-14-12-18(13-15-20)25(26(31)28-19-7-2-3-8-19)29(23-11-5-4-10-22(23)27)24(30)17-21-9-6-16-33-21/h4-6,9-16,19,25H,2-3,7-8,17H2,1H3,(H,28,31)
InChIKeyRIQXODFHCXADJC-UHFFFAOYSA-N
MW483.03 g/mol
LogP5.79
Rot. Bonds8

About 2-(2-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide

2-(2-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide (PubChem CID 3202731) has the molecular formula C26H27ClN2O3S and a molecular weight of 483.03 g/mol. Its IUPAC name is 2-(2-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
PubChem CID3202731
Molecular FormulaC26H27ClN2O3S
Molecular Weight483.03 g/mol
Exact Mass482.14
IUPAC Name2-(2-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2Cl)cc1
InChIInChI=1S/C26H27ClN2O3S/c1-32-20-14-12-18(13-15-20)25(26(31)28-19-7-2-3-8-19)29(23-11-5-4-10-22(23)27)24(30)17-21-9-6-16-33-21/h4-6,9-16,19,25H,2-3,7-8,17H2,1H3,(H,28,31)
InChIKeyRIQXODFHCXADJC-UHFFFAOYSA-N
XLogP5.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.03
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202552
2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 3202734
N-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3202593
2-(4-acetamido-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 3184889
N-cyclopentyl-2-(3-methoxyphenyl)-2-(2-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202708
2-(4-chlorophenyl)-N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202553
N-cyclohexyl-2-(4-methoxyphenyl)-2-[quinolin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3184897
(2R)-N-cyclohexyl-2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 1167840
2-(2-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(1-methylpyrrol-2-yl)acetamide
CID 3191199
N-cyclohexyl-2-(4-methoxyphenyl)-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3184904
N-cyclopentyl-2-(4-methoxyphenyl)-2-[2-phenylethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202722
(2R)-N-cyclohexyl-2-(3,5-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide
CID 1168246

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(2-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide (CID 3202731) is 2-(2-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide is COc1ccc(C(C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide?
The InChIKey is RIQXODFHCXADJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O3S/c1-32-20-14-12-18(13-15-20)25(26(31)28-19-7-2-3-8-19)29(23-11-5-4-10-22(23)27)24(30)17-21-9-6-16-33-21/h4-6,9-16,19,25H,2-3,7-8,17H2,1H3,(H,28,31).
What are the key properties of 2-(2-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide?
2-(2-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide has a molecular weight of 483.03 g/mol, XLogP of 5.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 3202731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).